5-(Di-tert-butylphosphino)-1-(naphthalen-1-yl)-1H-pyrazole

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Product Information

Molecular Formula
C21H27N2P
Molecular Weight
338.43
Description
Catalyst for amination reactions
Synonyms
5-[Bis(1,1-dimethylethyl)phosphino]-1-(1-naphthalenyl)-1H-pyrazole
IUPAC Name
ditert-butyl-(2-naphthalen-1-ylpyrazol-3-yl)phosphane
SMILES
CC(C)(C)P(C1=CC=NN1C2=CC=CC3=CC=CC=C32)C(C)(C)C
InChI
InChI=1S/C21H27N2P/c1-20(2,3)24(21(4,5)6)19-14-15-22-23(19)18-13-9-11-16-10-7-8-12-17(16)18/h7-15H,1-6H3
InChI Key
XJZYJFVKLNCBQF-UHFFFAOYSA-N
Melting Point
127-131 °C
Flash Point
Not applicable
Purity
97%

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3
5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Exact Mass
338.19118587 g/mol
Monoisotopic Mass
338.19118587 g/mol
Topological Polar Surface Area
17.8Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
409
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2020152200-A1 Process for preparation of heteroarylketones 2019-01-25
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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